CID 118881

Triisopropylnaphthalene

Structural Information

Molecular Formula

C₁₉H₂₆

SMILES

CC(C)C1=CC=CC2=C1C=C(C=C2C(C)C)C(C)C

InChI

InChI=1S/C19H26/c1-12(2)15-10-18(14(5)6)17-9-7-8-16(13(3)4)19(17)11-15/h7-14H,1-6H3

InChIKey

PTNBGJZNHOSDLZ-UHFFFAOYSA-N

Compound name

1,3,5-tri(propan-2-yl)naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 254.20345 Da
Monoisotopic Mass: 6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.210726	162.5
[M+Na]+	277.192668	169.1
[M-H]-	253.196174	166.9
[M+NH4]+	272.237273	181.3
[M+K]+	293.166608	165.5
[M+H-H2O]+	237.200710	156.3
[M+HCOO]-	299.201651	180.6
[M+CH3COO]-	313.217301	205.0
[M+Na-2H]-	275.178116	162.9
[M]+	254.20290142	164.0
[M]-	254.20399858	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe